Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1301 | |
|---|---|---|
| Name: | 2-(2-methylpropoxy)naphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. 2-(2-methylpropoxy)- | |
| Labels: | ||
| CAS: | 2173-57-1 | |
| InChi Code: | InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 0.230825461 |
experimental value |
| 0.2489 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1051484 | US EPA CompTox Dashboard |